ethyl 5-[2-[8-(1,3-benzoxazol-2-yl)naphthalen-1-yl]carbonyloxypropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[8-(1,3-benzoxazol-2-yl)naphthalen-1-yl]carbonyloxypropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-[8-(1,3-benzoxazol-2-yl)naphthalene-1-carbonyl]oxypropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[8-(1,3-benzoxazol-2-yl)-1-naphthalenyl]-oxomethoxy]-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[8-(1,3-benzoxazol-2-yl)naphthalene-1-carbonyl]oxypropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[8-(1,3-benzoxazol-2-yl)-1-naphthoyl]oxypropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C30H23N3O6S MolecularWeight: 553.58512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5O4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5O4)C#N)C

InChI

InChI=1S/C30H23N3O6S/c1-4-37-30(36)25-16(2)21(15-31)28(40-25)33-26(34)17(3)38-29(35)20-12-8-10-18-9-7-11-19(24(18)20)27-32-22-13-5-6-14-23(22)39-27/h5-14,17H,4H2,1-3H3,(H,33,34)